6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazino]-2-isopropyl-4-methyl-pyrimidin-1-ium Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O/c1-15(2)20-22-16(3)14-19(23-20)25-10-8-24(9-11-25)12-13-26-18-6-4-17(21)5-7-18/h4-7,14-15H,8-13H2,1-3H3/p+1